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6W79
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BU of 6w79 by Molmil
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
著者Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-18
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6MX1
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BU of 6mx1 by Molmil
The crystal structure of the regulatory domain of aspartokinase in the bifunctional aspartokinase/homoserine dehydrogenase 1 from Escherichia coli str. K-12 substr. MG1655
分子名称: Bifunctional aspartokinase/homoserine dehydrogenase 1
著者Tan, K, Endres, M, Welk, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-30
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献The crystal structure of the regulatory domain of aspartokinase in the bifunctional aspartokinase/homoserine dehydrogenase 1 from Escherichia coli str. K-12 substr. MG1655
To Be Published
6W81
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BU of 6w81 by Molmil
Structure of PEDV main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: MALONIC ACID, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, Peptidase C30
著者Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-20
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6WKQ
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BU of 6wkq by Molmil
1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin
分子名称: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-16
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6WZU
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BU of 6wzu by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
分子名称: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
著者Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-14
公開日2020-05-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6WHL
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BU of 6whl by Molmil
The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
分子名称: Beta-lactamase, GLYCEROL
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-08
公開日2020-04-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
To Be Published
6X1L
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BU of 6x1l by Molmil
The crystal structure of a functional uncharacterized protein KP1_0663 from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044
分子名称: WbbZ protein
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-19
公開日2020-06-03
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6WEN
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BU of 6wen by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form
分子名称: CHLORIDE ION, Non-structural protein 3
著者Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-02
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6WGR
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BU of 6wgr by Molmil
The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, GLYCEROL
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
To Be Published
6WGP
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BU of 6wgp by Molmil
The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
To Be Published
5KL9
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BU of 5kl9 by Molmil
Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA
分子名称: Acyl-CoA thioester hydrolase YbgC, COENZYME A, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-06-23
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA
To Be Published
6XKF
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BU of 6xkf by Molmil
The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevskyi, A.Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-26
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
To Be Published
6XG3
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BU of 6xg3 by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature
分子名称: CHLORIDE ION, Non-structural protein 3, PHOSPHATE ION, ...
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-16
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6XNJ
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BU of 6xnj by Molmil
Crystal structure of the PDZ domain of human GOPC in complex with a peptide of E. coli O157:H7 str. Sakai effector NleG8
分子名称: Golgi-associated PDZ and coiled-coil motif-containing protein, NleG8 peptide, SULFATE ION
著者Stogios, P.J, Skarina, T, Popov, G, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-03
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the PDZ domain of human GOPC in complex with a peptide of E. coli O157:H7 str. Sakai effector NleG8
To Be Published
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
分子名称: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-10
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
6XOA
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BU of 6xoa by Molmil
The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-06
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation
To Be Published
6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
著者Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-04-30
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
6WCO
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BU of 6wco by Molmil
Structure of SARS main protease bound to inhibitor X47
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
著者Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-30
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6XKH
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BU of 6xkh by Molmil
THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, ACETATE ION, ...
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevsky, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-26
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
To Be Published
5F46
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BU of 5f46 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form
分子名称: CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020
著者Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-03
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
6N91
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BU of 6n91 by Molmil
Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin)
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYCOFORMYCIN, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
著者Maltseva, N, Kim, Y, Endres, M, Welk, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-11-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin) (CASP target)
To Be Published
6WDT
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BU of 6wdt by Molmil
Enterovirus D68 in complex with human monoclonal antibody EV68-228
分子名称: EV68-228 heavy chain, EV68-228 light chain, viral protein 1, ...
著者Fu, J, Vogt, M.R, Klose, T, Crowe, J.E, Rossmann, M.G, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-01
公開日2020-07-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Human antibodies neutralize enterovirus D68 and protect against infection and paralytic disease.
Sci Immunol, 5, 2020
6WON
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BU of 6won by Molmil
Crystal structure of acetoin dehydrogenase YohF from Salmonella typhimurium
分子名称: CHLORIDE ION, SULFATE ION, YohF
著者Stogios, P.J, Skarina, T, Mesa, N, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-25
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structure of acetoin dehydrogenase YohF from Salmonella typhimurium
To Be Published
6WOP
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BU of 6wop by Molmil
Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii
分子名称: 4-aminobutyrate transaminase, CHLORIDE ION, D(-)-TARTARIC ACID
著者Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-25
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii
To Be Published
6WKP
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BU of 6wkp by Molmil
Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
著者Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-16
公開日2020-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024

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件を2024-08-07に公開中

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